⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL9615064 | 0.71 | ALDH1A1 (0.36) | — | |
| SCHEMBL7853239 | 0.60 | — | — | |
| Water SCHEMBL27319944 | 0.60 | — | — | |
| SCHEMBL3576164 | 0.60 | MAP2K1 (0.46) | — | |
| SCHEMBL30350 | 0.59 | — | — | |
| SCHEMBL6782595 | 0.59 | TSHR (0.50) | — | |
| SCHEMBL19311269 | 0.58 | — | — | |
| SCHEMBL3641818 | 0.57 | HTT (0.59) | — | |
| SCHEMBL4884336 | 0.57 | — | — | |
| Hydrochloric Acid SCHEMBL6052939 | 0.57 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8455477-B2 | Therapeutic compounds | MERCK SHARP & DOHME CORP. (US) | 2013-06-04 | — | — | US | disclosed |
| US-20110207711-A1 | Therapeutic Compounds | MSD K.K. (JP) | 2011-08-25 | — | — | US | disclosed |
| EP-2320907-A1 | THERAPEUTIC COMPOUNDS | Merck & Co., Inc. (US) | 2011-05-18 | — | — | EP | disclosed |
| US-7696354-B2 | Cephem compounds having broad antibacterial spectrum | SHIONOGI & CO., LTD. (JP) | 2010-04-13 | — | — | US | disclosed |
| WO-2010017047-A1 | THERAPEUTIC COMPOUNDS | MERCK & CO., INC. (US) | 2010-02-11 | — | — | WO | disclosed |